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Open AccessArticle

The Characteristics of PD-L1 Inhibitors, from Peptides to Small Molecules

Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, China
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Authors to whom correspondence should be addressed.
Academic Editors: Henry Mosberg, Tomi Sawyer and Carrie Haskell-Luevano
Molecules 2019, 24(10), 1940; https://doi.org/10.3390/molecules24101940
Received: 25 April 2019 / Revised: 17 May 2019 / Accepted: 19 May 2019 / Published: 20 May 2019
The programmed cell death ligand protein 1 (PD-L1) is a member of the B7 protein family and consists of 290 amino acid residues. The blockade of the PD-1/PD-L1 immune checkpoint pathway is effective in tumor treatment. Results: Two pharmacophore models were generated based on peptides and small molecules. Hypo 1A consists of one hydrogen bond donor, one hydrogen bond acceptor, two hydrophobic points and one aromatic ring point. Hypo 1B consists of one hydrogen bond donor, three hydrophobic points and one positive ionizable point. Conclusions: The pharmacophore model consisting of a hydrogen bond donor, hydrophobic points and a positive ionizable point may be helpful for designing small-molecule inhibitors targeting PD-L1. View Full-Text
Keywords: programmed cell death ligand protein 1; pharmacophore; peptide; small molecule programmed cell death ligand protein 1; pharmacophore; peptide; small molecule
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MDPI and ACS Style

Zhong, Y.; Li, X.; Yao, H.; Lin, K. The Characteristics of PD-L1 Inhibitors, from Peptides to Small Molecules. Molecules 2019, 24, 1940.

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